8SZ6

PmHMGR bound to mevaldehyde and CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97943
Spacegroup name	I 41 3 2
Unit cell lengths	225.939, 225.939, 225.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.690 - 1.650
R-factor	0.1523
Rwork	0.151
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.449
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.690	28.690	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.042	0.028	0.430
Rmeas	0.044	0.029	0.460
Rpim	0.015	0.010	0.163
Number of reflections	116429	12024	11502
<I/σ(I)>	15.5
Completeness [%]	99.9	98.8	100
Redundancy	9	8.9	7.8
CC(1/2)	0.900	0.997	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293.15	1.2 M ammonium sulfate, 100 mM N-(2-Acetamido)iminodiacetic acid and 10 % glycerol