2PQT

Human N-acetyltransferase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-10-02
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	37.274, 44.975, 83.959
Unit cell angles	90.00, 99.17, 90.00

Refinement procedure

Resolution	22.000 - 1.780
Rwork	0.170
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ija
RMSD bond length	0.017
RMSD bond angle	1.372
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.082	0.039	0.551
Number of reflections	26582	2751	2595
<I/σ(I)>	9.5
Completeness [%]	99.8
Redundancy	3.5	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	30% PEG4000, 0.2 M NaOAc, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K