1QCZ

CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	180
Detector technology	CCD
Collection date	1998-01-01
Detector	ADSC QUANTUM 4
Spacegroup name	I 4 2 2
Unit cell lengths	113.040, 113.040, 49.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
Rwork	0.186
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	22.900 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SnB
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.077	0.172
Total number of observations	193682 *
Number of reflections	25072
<I/σ(I)>	6.8
Completeness [%]	97.2	86.7
Redundancy	7.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	drop consists of 1:1 mixture of well and protein solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	24 (%)
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)