4ZVJ

Structure of human triose phosphate isomerase K13M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	65.066, 73.530, 92.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.995 - 1.700
R-factor	0.1487
Rwork	0.147
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4poc
RMSD bond length	0.004
RMSD bond angle	0.835
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.063	0.036	0.586
Total number of observations	608944
Number of reflections	49677
<I/σ(I)>	8.5
Completeness [%]	100.0	100	100
Redundancy	12.3	11.7	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	35% PEG 2000 MME, 50 mM KBr, Tris pH 7.5