5JR8

Disposal of Iron by a Mutant form of Siderocalin NGAL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97740
Spacegroup name	P 43 21 2
Unit cell lengths	138.970, 138.970, 64.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.290 - 2.650
R-factor	0.18092
Rwork	0.179
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dfv
RMSD bond length	0.017
RMSD bond angle	1.968
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	98.290
High resolution limit [Å]	2.650
Rmerge	0.076
Number of reflections	19056
<I/σ(I)>	18.3
Completeness [%]	100.0
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1M Na2H/KH2 Phosphate pH 8.2