1NR9

Crystal Structure of Escherichia coli 1262 (APC5008), Putative Isomerase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-06
Detector	SBC-2
Wavelength(s)	0.97922, 0.97936,0.94644
Spacegroup name	P 1 21 1
Unit cell lengths	59.373, 83.546, 94.896
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	47.380 - 2.700
R-factor	0.206
Rwork	0.206
R-free	0.27500
Structure solution method	autoSHARP
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	autoSHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.120	0.446
Number of reflections	26031
<I/σ(I)>	6.2
Completeness [%]	98.8	99.8
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	Potassium/Sodium Tartrate, Sodium Citrate, Ammonium Sulfate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K